azane;chloromethanethiol

CH6ClNS — CID 156690600

IUPACazane;chloromethanethiol
SMILESN.SCCl
InChIInChI=1S/CH3ClS.H3N/c2-1-3;/h3H,1H2;1H3
InChIKeyWVLMYNXFWDQKFJ-UHFFFAOYSA-N
MW99.59 g/mol
LogP1.27
Rot. Bonds

About azane;chloromethanethiol

azane;chloromethanethiol (PubChem CID 156690600) has the molecular formula CH6ClNS and a molecular weight of 99.59 g/mol. Its IUPAC name is azane;chloromethanethiol.

Molecular Properties

Compound Nameazane;chloromethanethiol
PubChem CID156690600
Molecular FormulaCH6ClNS
Molecular Weight99.59 g/mol
Exact Mass98.99
IUPAC Nameazane;chloromethanethiol
SMILESN.SCCl
InChIInChI=1S/CH3ClS.H3N/c2-1-3;/h3H,1H2;1H3
InChIKeyWVLMYNXFWDQKFJ-UHFFFAOYSA-N
XLogP1.27
TPSA35.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.59
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;chloromethanethiol?
The IUPAC name of azane;chloromethanethiol (CID 156690600) is azane;chloromethanethiol.
What is the SMILES notation for azane;chloromethanethiol?
The canonical SMILES for azane;chloromethanethiol is N.SCCl.
What is the InChIKey of azane;chloromethanethiol?
The InChIKey is WVLMYNXFWDQKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3ClS.H3N/c2-1-3;/h3H,1H2;1H3.
What are the key properties of azane;chloromethanethiol?
azane;chloromethanethiol has a molecular weight of 99.59 g/mol, XLogP of 1.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;chloromethanethiol is sourced from PubChem (CID 156690600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).